Acetic Acid → HCID 178505793, compound

HRID 284465Notes

Reaction equation

HRID 284465 reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[Cl:41][CH:42]([Cl:43])[CH3:44].[F:23][c:24]1[cH:25][cH:26][c:27]([CH:28]=[O:29])[cH:30][cH:31]1.[NH2:1][CH2:2][c:3]1[c:4]2[cH:5][cH:6][c:7]([NH:13][CH:14]3[CH2:15][CH2:16][c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]43)[n:8][c:9]2[cH:10][cH:11][cH:12]1.[Na+:40].[O-:36][C:37]([OH:38])=[O:39]>>[NH:1]([CH2:2][c:3]1[c:4]2[cH:5][cH:6][c:7]([NH:13][CH:14]3[CH2:15][CH2:16][c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]43)[n:8][c:9]2[cH:10][cH:11][cH:12]1)[CH2:28][c:27]1[cH:26][cH:25][c:24]([F:23])[cH:31][cH:30]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 63651,1-DichloroethaneHCID 680234-FluorobenzaldehydeHCID 74954545HCID 74954545, compound

Product 1

HCID 178505793HCID 178505793, compound

Sources & evidence

ORD record
ord-56e1abbd7208433585dd163ac5e03a45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…